Geometry & MOs

Info

ID:	425191
PubChem CID:	135125484
Reduced:	OSF3N8H21C30 (1)
Stoich.:	ABC3D8E21F30 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	52.38
Dipole, Da:	5.68
IP(EA), eV:	-8.98(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-methylisoquinolin-6-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]2CSC(=N[C@]2(CN1C3=NC=C(C=N3)F)C4=C(C=CC(=C4)/C=C(/C5=NC=C(N=C5)C#N)\F)F)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations